UCSF

ZINC35866221

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.16 3.58 -41.12 2 8 1 70 447.6 7
Mid Mid (pH 6-8) 0.16 5.89 -91.56 3 8 2 71 448.608 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )